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Discovery of urinary biomarkers of whole grain rye intake in free-living subjects using non-targeted LC-MS metabolite profiling
Department of Clinical Nutrition, Institute of Public Health and Clinical Nutrition, University of Eastern Finland, Kuopio, Finland.
Department of Food Science, Uppsala BioCenter, Swedish University of Argicultural Science, Uppsala, Sweden.
Uppsala University, Disciplinary Domain of Humanities and Social Sciences, Faculty of Social Sciences, Department of Food, Nutrition and Dietetics.
Uppsala University, Disciplinary Domain of Medicine and Pharmacy, Faculty of Medicine, Department of Public Health and Caring Sciences, Clinical Nutrition and Metabolism.
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2015 (English)In: Molecular Nutrition & Food Research, ISSN 1613-4125, E-ISSN 1613-4133, Vol. 59, no 11, 2315-2325 p.Article in journal (Refereed) Published
Abstract [en]

SCOPE: Whole grain (WG) intake is associated with decreased risk of developing colorectal cancer, type 2 diabetes and cardiovascular disease and its comorbidities. However, the role of specific grains is unclear. Moreover, intake of specific WG is challenging to measure accurately with traditional dietary assessment methods. Our aim was to use non-targeted metabolite profiling to discover specific urinary biomarkers for WG rye to objectively reflect intake under free-living conditions.

METHODS AND RESULTS: WG rye intake was estimated by weighed food records, and 24 h urine collections were analyzed by LC-MS. Multivariate modelling was undertaken by repeated double cross-validated partial least squares regression against reported WG rye intake, which correlated well with multivariate prediction estimates (r = 0.67-0.80, p<0.001), but not with intakes of WG wheat or oats. Hydroxyhydroxyphenyl acetamide (HHPA) sulfate, 3,5-dihydroxyphenylpropionic acid (DHPPA) sulfate, caffeic acid sulfate and hydroxyphenyl acetamide (HPAA) sulfate were among the 20 features which had the greatest potential as intake biomarkers of WG. In addition, three compounds exhibited MS/MS fragmentation of carnitine structures.

CONCLUSION: With this non-targeted approach, we confirmed the specificity of alkylresorcinol metabolites as biomarkers for WG rye intake, but also discovered other compounds that should be evaluated as putative biomarkers in future studies.

Place, publisher, year, edition, pages
2015. Vol. 59, no 11, 2315-2325 p.
Keyword [en]
Dietary biomarker, Whole grain
National Category
Nutrition and Dietetics
Research subject
Nutrition; Food, Nutrition and Dietetics
URN: urn:nbn:se:uu:diva-262344DOI: 10.1002/mnfr.201500423ISI: 000367729600019PubMedID: 26264776OAI: oai:DiVA.org:uu-262344DiVA: diva2:853426
Swedish Research Council FormasSwedish Research Council for Environment, Agricultural Sciences and Spatial PlanningSwedish Research Council
Available from: 2015-09-14 Created: 2015-09-14 Last updated: 2016-02-10Bibliographically approved

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